1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone Formula: C18H19BrN4O3S MolecularWeight: 451.33746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H19BrN4O3S/c19-13-10-20-18(21-11-13)23-5-3-22(4-6-23)17(24)12-27-14-1-2-15-16(9-14)26-8-7-25-15/h1-2,9-11H,3-8,12H2